SCHEMBL6090831

SCHEMBL6090831

O=C1NN=C(CCc2ccccc2)C1=Cc1cn(CCCCO)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.49
SIRT1 Q96EB6 1/20 0.45
SIRT5 Q9NXA8 1/20 0.45
KMT2A Q03164 7/20 0.44
DHFR P00374 4/20 0.41
MEN1 O00255 5/20 0.41
POLB P06746 1/20 0.41
KDR P35968 2/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6092908 0.91 SIRT1 (0.46) MAPK14SIRT1SIRT5KMT2ADHFR
SCHEMBL6092911 0.91 SIRT1 (0.46) MAPK14SIRT1SIRT5KMT2ADHFR
SCHEMBL6089390 0.85 MAPK14 (0.67) MAPK14KMT2AMEN1KDR
SCHEMBL6089394 0.85 MAPK14 (0.67) MAPK14KMT2AMEN1KDR
SCHEMBL6090511 0.83 KMT2A (0.48) KMT2ADHFRMEN1POLBKDR
SCHEMBL6090516 0.83 KMT2A (0.48) KMT2ADHFRMEN1POLBKDR
SCHEMBL6090641 0.82 MEN1 (0.45) MAPK14KMT2AMEN1POLBKDR
SCHEMBL6090637 0.82 MEN1 (0.45) MAPK14KMT2AMEN1POLBKDR
SCHEMBL6090339 0.80 KMT2A (0.45) SIRT1SIRT5KMT2ADHFRMEN1
SCHEMBL6092288 0.80 KMT2A (0.45) KMT2ADHFRMEN1POLBKDR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7060822-B1 2-pyrazolin-5-ones ABBOTT GMBH & CO. KG (DE) 2006-06-13 US disclosed